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Home > Boronic Acids > 762263-64-9
762263-64-9 | Pyrazin-2-ylboronic acid
CAS No: 762263-64-9 Catalog No: AG005RJF MDL No:MFCD08703263
Product Description
Catalog Number:
AG005RJF
Chemical Name:
Pyrazin-2-ylboronic acid
CAS Number:
762263-64-9
Molecular Formula:
C4H5BN2O2
Molecular Weight:
123.9057
MDL Number:
MFCD08703263
IUPAC Name:
pyrazin-2-ylboronic acid
InChI:
InChI=1S/C4H5BN2O2/c8-5(9)4-3-6-1-2-7-4/h1-3,8-9H
InChI Key:
CUMQALGFPKMFQO-UHFFFAOYSA-N
SMILES:
OB(c1nccnc1)O
Properties
Complexity:
90.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.044g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
123.906g/mol
Monoisotopic Mass:
124.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. | Journal of medicinal chemistry 20101111 |
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